Compound Detail
CHEMBL47917
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N#CN/C(=N\CCNC(=O)c1c2ccccc2nc2ccccc12)NCCCOc1cccc(CN2CCCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL47917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCPYYRGRBRZJBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
4.59
ALogP
6
HBA
3
HBD
114.7
PSA (Ų)
0.06
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | Kd | 6.74 | 6.74 | 182.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Kd | = | 181.97 | nM | 6.74 | Histamine H2 receptor antagonistic activity on the isolated spontaneously beatin... | 12729649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729649 | 10.1016/s0960-894x(03)00235-x | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine